1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone

C23H24FN3O2 — CID 53149296

IUPAC1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3cnn(-c4cccc(F)c4)c3)CC2)cc1
InChIInChI=1S/C23H24FN3O2/c1-29-22-7-5-17(6-8-22)13-23(28)26-11-9-18(10-12-26)19-15-25-27(16-19)21-4-2-3-20(24)14-21/h2-8,14-16,18H,9-13H2,1H3
InChIKeySJKFRYGHSNJPMU-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.97
Rot. Bonds5

About 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone

1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 53149296) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID53149296
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3cnn(-c4cccc(F)c4)c3)CC2)cc1
InChIInChI=1S/C23H24FN3O2/c1-29-22-7-5-17(6-8-22)13-23(28)26-11-9-18(10-12-26)19-15-25-27(16-19)21-4-2-3-20(24)14-21/h2-8,14-16,18H,9-13H2,1H3
InChIKeySJKFRYGHSNJPMU-UHFFFAOYSA-N
XLogP3.97
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 53149296) is 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCC(c3cnn(-c4cccc(F)c4)c3)CC2)cc1.
What is the InChIKey of 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is SJKFRYGHSNJPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-29-22-7-5-17(6-8-22)13-23(28)26-11-9-18(10-12-26)19-15-25-27(16-19)21-4-2-3-20(24)14-21/h2-8,14-16,18H,9-13H2,1H3.
What are the key properties of 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 393.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 53149296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).